3-(3-piperazin-1-ylpropanoyl)-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one

Systemtic Name: 3-(3-piperazin-1-ylpropanoyl)-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one Openeye Name: 3-(3-piperazin-1-ylpropanoyl)-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one CAS Name: 3-[1-oxo-3-(1-piperazinyl)propyl]-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one IUPAC Name: 3-(3-piperazin-1-ylpropanoyl)-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one Traditional Name: 3-(3-piperazinopropanoyl)-5,11b,12,13-tetrahydroisoindolo[2,3-b][2]benzazepin-7-one Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN3C1C4=CC=CC=C4C3=O)C=C(C=C2)C(=O)CCN5CCNCC5

Isomeric SMILES

C1CC2=C(CN3C1C4=CC=CC=C4C3=O)C=C(C=C2)C(=O)CCN5CCNCC5

InChI

InChI=1S/C24H27N3O2/c28-23(9-12-26-13-10-25-11-14-26)18-6-5-17-7-8-22-20-3-1-2-4-21(20)24(29)27(22)16-19(17)15-18/h1-6,15,22,25H,7-14,16H2